#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gcx s GLN 2 N 0.00 4.34 -0.20 0.03 -2.07 -1.26 -4.63 119.66 115.86 2gcx s GLN 2 Ca 0.00 1.00 -0.08 0.00 -1.82 0.00 0.00 55.36 54.46 2gcx s GLN 2 Cb 0.00 -2.81 0.03 0.00 -1.09 0.00 0.00 33.01 29.13 2gcx s GLN 2 CO 0.00 0.34 0.15 1.19 -1.32 0.00 0.00 175.29 175.65 2gcx n PHE 3 N 0.58 -3.83 -4.31 9.60 3.01 -1.26 -4.90 117.46 116.35 2gcx n PHE 3 Ca -0.01 2.07 -0.23 0.00 1.01 0.00 0.00 57.45 60.29 2gcx n PHE 3 Cb 0.51 -3.61 -0.08 0.00 -0.01 0.00 0.00 39.48 36.30 2gcx n PHE 3 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2gcx s THR 4 N -0.91 3.15 0.50 4.37 -4.23 -1.26 -4.69 115.64 112.57 2gcx s THR 4 Ca -0.17 -1.98 -0.20 0.00 -1.18 0.00 0.00 61.69 58.15 2gcx s THR 4 Cb 0.01 -2.76 -0.09 0.00 1.34 0.00 0.00 72.50 70.99 2gcx s THR 4 CO 0.70 -0.34 0.69 -2.65 -0.54 0.00 0.00 174.62 172.48 2gcx n PRO 5 N -0.88 0.75 -1.34 3.99 -0.02 -1.26 -1.87 135.00 134.36 2gcx n PRO 5 Ca -0.06 0.28 -0.12 0.00 -2.02 0.00 0.00 63.50 61.59 2gcx n PRO 5 Cb 0.60 -1.79 -0.05 0.00 -0.02 0.00 0.00 33.50 32.24 2gcx n PRO 5 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2gcx n ASP 6 N 0.52 -4.78 -4.99 2.55 9.92 -1.21 -4.99 116.55 113.57 2gcx n ASP 6 Ca 0.11 0.29 -0.19 0.00 -0.53 0.00 0.00 54.79 54.48 2gcx n ASP 6 Cb 0.44 -3.32 0.04 0.00 -0.64 0.00 0.00 41.12 37.64 2gcx n ASP 6 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2gcx s SER 7 N -2.70 5.35 0.01 -2.24 1.04 -0.78 -4.90 113.70 109.47 2gcx s SER 7 Ca 0.00 -0.51 0.04 0.00 0.48 0.00 0.00 55.95 55.96 2gcx s SER 7 Cb 0.00 -0.33 -0.01 0.00 0.10 0.00 0.00 66.02 65.77 2gcx s SER 7 CO 0.00 -1.06 -0.12 0.00 0.98 0.00 0.00 173.24 173.04 2gcx s ALA 8 N -2.55 1.01 0.16 5.32 0.00 -1.26 -1.02 121.76 123.43 2gcx s ALA 8 Ca 0.58 -0.64 -0.16 0.00 0.00 0.00 0.00 51.96 51.75 2gcx s ALA 8 Cb -0.08 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.86 2gcx s ALA 8 CO 0.36 0.21 0.45 -1.58 0.00 0.00 0.00 175.76 175.20 2gcx s TRP 9 N -0.56 -0.10 -0.10 0.00 0.52 -0.93 -4.46 118.94 113.32 2gcx s TRP 9 Ca 0.02 -0.23 -0.03 0.00 0.02 0.00 0.00 56.10 55.88 2gcx s TRP 9 Cb -0.06 0.29 -0.03 0.00 -1.15 0.00 0.00 33.47 32.52 2gcx s TRP 9 CO 0.00 -0.81 0.01 0.15 0.02 0.00 0.00 176.95 176.33 2gcx s LYS 10 N -3.85 3.17 -0.03 4.98 1.02 -0.88 -1.47 119.74 122.67 2gcx s LYS 10 Ca 0.07 -0.39 -0.30 0.00 0.02 0.00 0.00 55.97 55.37 2gcx s LYS 10 Cb 0.01 -2.87 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 2gcx s LYS 10 CO -0.06 0.63 1.08 0.42 -0.92 0.00 0.00 175.35 176.50 2gcx s ILE 11 N -0.67 4.54 -0.33 2.17 1.01 0.15 -1.69 121.20 126.38 2gcx s ILE 11 Ca 0.11 1.82 0.16 0.00 0.00 0.00 0.00 60.65 62.75 2gcx s ILE 11 Cb -0.12 -4.17 0.46 0.00 0.01 0.00 0.00 42.46 38.64 2gcx s ILE 11 CO 0.02 0.06 1.01 0.41 0.00 0.00 0.00 174.94 176.44 2gcx n THR 12 N 4.28 1.31 -1.52 2.92 -1.04 0.18 0.12 114.28 120.53 2gcx n THR 12 Ca 0.09 -3.38 -0.25 0.00 -2.04 0.00 0.00 64.05 58.47 2gcx n THR 12 Cb 0.48 0.39 -0.16 0.00 -1.82 0.00 0.00 70.33 69.22 2gcx n THR 12 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2gcx n GLY 13 N -0.23 -0.35 2.74 3.41 0.00 -1.24 -1.58 105.19 107.93 2gcx n GLY 13 Ca 0.15 0.34 -0.18 0.00 0.00 0.00 0.00 46.02 46.33 2gcx n GLY 13 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gcx s PHE 14 N 6.33 -0.31 0.55 1.61 2.19 -1.26 -4.72 117.98 122.38 2gcx s PHE 14 Ca 1.20 -0.57 0.07 0.00 0.33 0.00 0.00 56.93 57.96 2gcx s PHE 14 Cb -0.69 -0.47 0.10 0.00 -1.31 0.00 0.00 43.02 40.65 2gcx s PHE 14 CO 0.41 -0.94 0.76 0.45 1.83 0.00 0.00 175.22 177.73 2gcx n SER 15 N 4.73 1.78 0.20 6.13 2.88 -1.18 -4.40 113.62 123.78 2gcx n SER 15 Ca 0.05 -2.33 0.10 0.00 -1.33 0.00 0.00 58.87 55.36 2gcx n SER 15 Cb 0.45 -0.42 0.17 0.00 -0.75 0.00 0.00 64.21 63.66 2gcx n SER 15 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2gcx h ARG 16 N 0.00 0.00 -0.01 -1.46 -0.00 -1.94 -3.38 114.38 107.58 2gcx h ARG 16 Ca -0.25 0.00 -0.16 0.00 -0.50 0.00 0.00 59.98 59.06 2gcx h ARG 16 Cb 1.12 0.00 -0.16 0.00 0.00 0.00 0.00 29.97 30.94 2gcx h ARG 16 CO 0.34 0.14 -0.32 -3.47 0.00 0.00 0.00 179.97 176.67 2gcx n ASP 17 N -3.14 -1.20 -4.62 7.04 2.03 -1.26 -5.12 116.55 110.27 2gcx n ASP 17 Ca 0.03 -2.15 -0.57 0.00 0.52 0.00 0.00 54.79 52.63 2gcx n ASP 17 Cb 0.57 0.53 -0.07 0.00 -0.72 0.00 0.00 41.12 41.42 2gcx n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2gcx n ILE 18 N -1.06 0.08 -3.11 5.18 3.06 -1.26 -4.93 119.36 117.32 2gcx n ILE 18 Ca -0.20 -0.01 -0.33 0.00 -2.50 0.00 0.00 62.75 59.71 2gcx n ILE 18 Cb 0.83 -0.73 -0.06 0.00 0.54 0.00 0.00 39.64 40.22 2gcx n ILE 18 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 2gcx s SER 19 N 1.49 6.82 0.49 9.51 0.15 -1.26 -4.94 113.70 125.97 2gcx s SER 19 Ca 0.92 1.33 0.19 0.00 0.70 0.00 0.00 55.95 59.08 2gcx s SER 19 Cb -1.11 -2.39 1.23 0.00 -1.71 0.00 0.00 66.02 62.04 2gcx s SER 19 CO 0.58 -0.19 2.03 1.55 1.20 0.00 0.00 173.24 178.42 2gcx h PRO 20 N 2.38 0.14 -0.73 5.44 0.13 -1.96 -1.77 132.00 135.62 2gcx h PRO 20 Ca -0.48 -0.01 0.17 0.00 -0.87 0.00 0.00 66.00 64.81 2gcx h PRO 20 Cb 1.18 -0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.15 2gcx h PRO 20 CO 0.65 0.09 0.06 0.00 -0.23 0.00 0.00 178.00 178.57 2gcx h ALA 21 N 1.79 0.82 0.12 -0.56 0.00 -1.98 1.26 119.26 120.72 2gcx h ALA 21 Ca 0.19 0.21 -0.27 0.00 0.00 0.00 0.00 54.91 55.04 2gcx h ALA 21 Cb 0.56 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2gcx h ALA 21 CO -0.03 -0.40 -1.40 1.88 0.00 0.00 0.00 179.25 179.31 2gcx h TYR 22 N 0.15 0.45 0.88 0.00 0.05 -1.83 -3.29 116.97 113.38 2gcx h TYR 22 Ca 0.41 -0.33 -0.04 0.00 0.05 0.00 0.00 58.73 58.81 2gcx h TYR 22 Cb 0.71 -0.02 0.01 0.00 1.01 0.00 0.00 36.73 38.44 2gcx h TYR 22 CO -0.36 1.55 -0.42 -0.09 -1.05 0.00 0.00 178.16 177.78 2gcx h ARG 23 N -0.30 -1.14 -1.11 4.88 9.65 -0.83 -2.49 114.38 123.04 2gcx h ARG 23 Ca -0.30 0.08 0.32 0.00 -1.10 0.00 0.00 59.98 58.98 2gcx h ARG 23 Cb 1.76 0.26 -0.05 0.00 -1.39 0.00 0.00 29.97 30.56 2gcx h ARG 23 CO 0.06 -0.76 0.79 0.37 2.80 0.00 0.00 179.97 183.23 2gcx h GLN 24 N -1.22 0.02 -0.14 0.20 5.75 0.14 0.81 115.11 120.67 2gcx h GLN 24 Ca -0.12 -0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.27 2gcx h GLN 24 Cb 0.91 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.44 2gcx h GLN 24 CO 0.20 0.01 -0.38 -0.22 -2.65 0.00 0.00 178.83 175.79 2gcx h LYS 25 N 0.02 0.30 -0.01 1.69 3.64 -1.53 -3.05 116.57 117.63 2gcx h LYS 25 Ca 0.53 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.73 2gcx h LYS 25 Cb 2.09 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.91 2gcx h LYS 25 CO -0.02 0.64 -0.19 -0.07 -2.27 0.00 0.00 179.45 177.54 2gcx h LEU 26 N 0.25 0.18 -1.60 5.20 3.38 1.00 -3.24 115.31 120.49 2gcx h LEU 26 Ca 0.03 -0.74 0.27 0.00 0.09 0.00 0.00 57.88 57.53 2gcx h LEU 26 Cb 0.79 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 2gcx h LEU 26 CO 0.06 0.89 0.69 -0.07 0.09 0.00 0.00 178.44 180.10 2gcx h LEU 27 N -0.51 0.29 -1.67 1.67 3.38 -1.37 0.32 115.31 117.43 2gcx h LEU 27 Ca -0.02 0.05 0.18 0.00 0.09 0.00 0.00 57.88 58.18 2gcx h LEU 27 Cb 0.91 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 2gcx h LEU 27 CO 0.04 0.07 0.54 -1.28 0.09 0.00 0.00 178.44 177.90 2gcx h SER 28 N 0.27 0.28 0.87 -0.43 0.87 -1.55 0.15 113.55 114.01 2gcx h SER 28 Ca 0.54 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 61.04 2gcx h SER 28 Cb 1.62 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.53 2gcx h SER 28 CO -0.18 0.13 -1.19 -0.07 -0.53 0.00 0.00 176.83 174.99 2gcx h LEU 29 N 0.29 0.00 0.00 2.23 4.07 -0.53 -3.48 115.31 117.89 2gcx h LEU 29 Ca 0.40 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.36 2gcx h LEU 29 Cb 1.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.85 2gcx h LEU 29 CO -0.11 0.29 0.00 0.61 -1.08 0.00 0.00 178.44 178.16 2gcx n GLY 30 N 1.29 0.91 3.30 0.83 0.00 0.51 -5.03 105.19 106.99 2gcx n GLY 30 Ca -0.05 -0.47 -0.46 0.00 0.00 0.00 0.00 46.02 45.04 2gcx n GLY 30 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2gcx s MET 31 N -1.46 3.43 0.37 1.61 -1.94 -1.24 -5.02 119.30 115.05 2gcx s MET 31 Ca 0.00 -2.40 -0.01 0.00 -1.71 0.00 0.00 55.69 51.56 2gcx s MET 31 Cb 0.00 -4.34 -0.04 0.00 2.01 0.00 0.00 34.83 32.47 2gcx s MET 31 CO 0.00 -1.28 0.60 -0.51 -0.01 0.00 0.00 175.02 173.82 2gcx s LEU 32 N 0.26 3.93 -0.60 -0.03 1.02 -1.26 -4.66 118.68 117.34 2gcx s LEU 32 Ca 0.16 0.59 -0.38 0.00 0.02 0.00 0.00 54.13 54.52 2gcx s LEU 32 Cb -0.13 -3.47 -0.18 0.00 0.02 0.00 0.00 46.19 42.44 2gcx s LEU 32 CO -0.07 -0.34 2.31 -2.65 0.02 0.00 0.00 176.35 175.61 2gcx n PRO 33 N -1.78 0.25 0.00 1.29 -0.02 -1.26 -2.88 135.00 130.60 2gcx n PRO 33 Ca -0.03 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2gcx n PRO 33 Cb 0.56 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 2gcx n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gcx n GLY 34 N 6.99 1.48 3.88 -1.23 0.00 0.31 -4.94 105.19 111.69 2gcx n GLY 34 Ca 0.54 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.35 2gcx n GLY 34 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gcx s SER 35 N -1.78 4.94 0.05 1.61 0.15 -0.85 -4.89 113.70 112.93 2gcx s SER 35 Ca 0.00 -0.86 0.07 0.00 0.70 0.00 0.00 55.95 55.87 2gcx s SER 35 Cb 0.00 -0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 63.91 2gcx s SER 35 CO 0.00 -0.75 -0.18 -0.55 1.20 0.00 0.00 173.24 172.96 2gcx s SER 36 N -4.17 3.84 0.14 5.45 0.15 -1.26 0.34 113.70 118.19 2gcx s SER 36 Ca 0.46 -0.44 -0.21 0.00 0.70 0.00 0.00 55.95 56.46 2gcx s SER 36 Cb -0.03 -0.61 0.06 0.00 -1.71 0.00 0.00 66.02 63.73 2gcx s SER 36 CO 0.27 0.24 0.53 0.72 1.20 0.00 0.00 173.24 176.20 2gcx s PHE 37 N -0.96 -0.42 0.12 3.44 -0.71 -0.54 -4.82 117.98 114.09 2gcx s PHE 37 Ca 0.15 0.18 0.06 0.00 -1.04 0.00 0.00 56.93 56.28 2gcx s PHE 37 Cb -0.11 0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 42.11 2gcx s PHE 37 CO 0.06 -0.79 0.00 -1.58 -1.34 0.00 0.00 175.22 171.58 2gcx s HIS 38 N -3.70 2.95 0.08 3.49 2.46 -0.87 -2.19 115.29 117.51 2gcx s HIS 38 Ca 0.01 -0.06 -0.19 0.00 0.47 0.00 0.00 55.06 55.29 2gcx s HIS 38 Cb 0.00 -1.49 -0.07 0.00 -0.13 0.00 0.00 32.58 30.90 2gcx s HIS 38 CO -0.12 0.49 0.57 0.08 -2.47 0.00 0.00 174.74 173.29 2gcx s VAL 39 N -1.45 4.75 -0.21 0.89 1.01 -0.19 -1.46 120.40 123.74 2gcx s VAL 39 Ca 0.26 1.18 -0.12 0.00 0.00 0.00 0.00 61.98 63.30 2gcx s VAL 39 Cb -0.11 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 2gcx s VAL 39 CO 0.19 0.52 -0.30 0.52 0.00 0.00 0.00 175.10 176.03 2gcx n VAL 40 N 1.62 1.31 -3.67 2.92 0.31 -0.46 -3.35 118.33 117.02 2gcx n VAL 40 Ca -0.10 -0.21 -0.09 0.00 -0.01 0.00 0.00 64.34 63.94 2gcx n VAL 40 Cb 0.51 -1.90 -0.09 0.00 -0.91 0.00 0.00 33.84 31.44 2gcx n VAL 40 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gcx s ARG 41 N -2.50 0.53 0.06 5.55 1.70 -1.26 -4.55 118.95 118.48 2gcx s ARG 41 Ca -0.30 1.01 -0.05 0.00 -0.47 0.00 0.00 55.73 55.92 2gcx s ARG 41 Cb 0.10 0.09 -0.02 0.00 -0.57 0.00 0.00 34.95 34.56 2gcx s ARG 41 CO 0.39 -0.16 0.07 0.08 -1.08 0.00 0.00 175.30 174.60 2gcx s VAL 42 N 1.62 0.18 0.04 4.99 1.01 -1.26 -3.92 120.40 123.04 2gcx s VAL 42 Ca -0.09 -1.46 0.05 0.00 0.00 0.00 0.00 61.98 60.48 2gcx s VAL 42 Cb -0.07 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 2gcx s VAL 42 CO -0.16 -0.81 -0.15 0.00 0.00 0.00 0.00 175.10 173.98 2gcx s ALA 43 N -3.69 1.27 -0.01 5.51 0.00 -1.26 -4.67 121.76 118.91 2gcx s ALA 43 Ca 0.04 -0.85 0.30 0.00 0.00 0.00 0.00 51.96 51.45 2gcx s ALA 43 Cb 0.05 -0.22 1.46 0.00 0.00 0.00 0.00 23.12 24.42 2gcx s ALA 43 CO -0.10 0.26 1.91 -1.00 0.00 0.00 0.00 175.76 176.82 2gcx h PRO 44 N 4.98 0.00 0.00 0.00 0.13 -1.91 -3.29 132.00 131.91 2gcx h PRO 44 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2gcx h PRO 44 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2gcx h PRO 44 CO 0.44 0.00 -0.02 -0.07 -0.23 0.00 0.00 178.00 178.12 2gcx h LEU 45 N 0.00 0.00 0.00 1.56 -0.00 -1.98 -3.32 115.31 111.56 2gcx h LEU 45 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2gcx h LEU 45 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.85 2gcx h LEU 45 CO 0.00 0.04 0.00 0.61 -0.00 0.00 0.00 178.44 179.09 2gcx n GLY 46 N 1.75 -0.54 3.48 0.83 0.00 -1.24 -5.05 105.19 104.42 2gcx n GLY 46 Ca -0.00 0.71 -0.25 0.00 0.00 0.00 0.00 46.02 46.48 2gcx n GLY 46 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2gcx s ASP 47 N 0.00 2.63 -0.28 1.61 -4.77 -1.26 -4.94 116.67 109.66 2gcx s ASP 47 Ca 0.00 -1.68 -0.25 0.00 -3.30 0.00 0.00 52.55 47.32 2gcx s ASP 47 Cb 0.00 0.51 0.00 0.00 -1.09 0.00 0.00 42.92 42.34 2gcx s ASP 47 CO 0.00 -0.95 0.88 -2.16 0.70 0.00 0.00 175.17 173.64 2gcx s PRO 48 N -3.69 4.09 0.21 2.11 0.05 -1.26 -3.97 135.00 132.55 2gcx s PRO 48 Ca 0.26 0.88 0.06 0.00 0.05 0.00 0.00 61.00 62.25 2gcx s PRO 48 Cb 0.03 -3.69 -0.04 0.00 0.05 0.00 0.00 34.50 30.85 2gcx s PRO 48 CO 0.16 -0.65 0.14 0.54 0.05 0.00 0.00 177.00 177.24 2gcx s VAL 49 N 3.05 4.31 0.04 -0.36 0.11 -0.32 -4.85 120.40 122.38 2gcx s VAL 49 Ca 0.37 -1.32 0.08 0.00 -2.93 0.00 0.00 61.98 58.17 2gcx s VAL 49 Cb -0.14 -3.26 -0.03 0.00 -1.53 0.00 0.00 36.38 31.41 2gcx s VAL 49 CO 0.10 -0.24 -0.21 -1.00 -3.33 0.00 0.00 175.10 170.43 2gcx s HIS 50 N -1.96 2.47 -0.09 1.54 3.76 -1.26 0.46 115.29 120.22 2gcx s HIS 50 Ca 0.31 -0.31 0.02 0.00 -0.15 0.00 0.00 55.06 54.93 2gcx s HIS 50 Cb -0.09 -1.43 -0.02 0.00 1.11 0.00 0.00 32.58 32.15 2gcx s HIS 50 CO 0.23 0.21 -0.14 0.96 -0.85 0.00 0.00 174.74 175.15 2gcx s ILE 51 N -0.88 3.04 -0.33 0.60 -4.36 0.19 -1.35 121.20 118.11 2gcx s ILE 51 Ca 0.14 -0.70 -0.08 0.00 -0.26 0.00 0.00 60.65 59.74 2gcx s ILE 51 Cb -0.10 -2.23 0.02 0.00 1.25 0.00 0.00 42.46 41.40 2gcx s ILE 51 CO 0.04 0.56 0.13 -0.70 0.24 0.00 0.00 174.94 175.21 2gcx s GLU 52 N -0.20 2.94 0.22 0.37 2.56 -0.54 -1.11 118.70 122.94 2gcx s GLU 52 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 54.97 54.00 2gcx s GLU 52 Cb -0.13 -3.52 0.00 0.00 2.00 0.00 0.00 34.13 32.48 2gcx s GLU 52 CO 0.03 -0.56 0.03 0.25 -0.56 0.00 0.00 175.26 174.45 2gcx n THR 53 N 4.91 0.00 -1.53 -1.70 -2.24 -0.53 -2.05 114.28 111.14 2gcx n THR 53 Ca -0.13 -1.01 -0.25 0.00 -2.27 0.00 0.00 64.05 60.39 2gcx n THR 53 Cb 0.47 0.11 -0.12 0.00 -2.10 0.00 0.00 70.33 68.69 2gcx n THR 53 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2gcx n ARG 54 N -0.64 0.40 -3.69 -0.78 5.12 -1.26 -1.80 116.66 114.00 2gcx n ARG 54 Ca -0.08 -0.29 -0.28 0.00 -1.93 0.00 0.00 57.85 55.28 2gcx n ARG 54 Cb 0.27 -2.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.09 2gcx n ARG 54 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2gcx n ARG 55 N 7.85 -3.96 -3.29 5.56 1.74 -1.26 -4.93 116.66 118.36 2gcx n ARG 55 Ca 0.54 0.50 -0.08 0.00 -0.77 0.00 0.00 57.85 58.04 2gcx n ARG 55 Cb 0.30 -5.27 -0.06 0.00 -1.02 0.00 0.00 32.46 26.41 2gcx n ARG 55 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2gcx s VAL 56 N -3.11 -0.66 -0.44 1.55 1.01 -0.75 -5.12 120.40 112.88 2gcx s VAL 56 Ca 0.55 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 62.11 2gcx s VAL 56 Cb -0.29 -0.98 0.04 0.00 0.00 0.00 0.00 36.38 35.15 2gcx s VAL 56 CO 0.68 -0.25 0.42 -0.55 0.00 0.00 0.00 175.10 175.40 2gcx s SER 57 N 2.57 6.17 0.28 3.32 0.15 -1.26 -1.45 113.70 123.47 2gcx s SER 57 Ca 0.10 -0.89 0.08 0.00 0.70 0.00 0.00 55.95 55.94 2gcx s SER 57 Cb -0.13 -2.21 -0.04 0.00 -1.71 0.00 0.00 66.02 61.94 2gcx s SER 57 CO -0.29 -0.61 0.16 -0.22 1.20 0.00 0.00 173.24 173.49 2gcx s LEU 58 N 2.00 3.59 -0.03 3.45 2.96 -0.27 -4.93 118.68 125.46 2gcx s LEU 58 Ca 0.09 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 2gcx s LEU 58 Cb -0.19 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 2gcx s LEU 58 CO 0.11 -0.10 -0.15 0.54 -1.32 0.00 0.00 176.35 175.43 2gcx s VAL 59 N -2.23 3.00 0.03 1.68 0.11 -1.26 0.55 120.40 122.28 2gcx s VAL 59 Ca 0.34 -0.83 0.06 0.00 -2.93 0.00 0.00 61.98 58.63 2gcx s VAL 59 Cb -0.07 -2.19 -0.02 0.00 -1.53 0.00 0.00 36.38 32.57 2gcx s VAL 59 CO 0.24 0.53 -0.18 -0.76 -3.33 0.00 0.00 175.10 171.60 2gcx s LEU 60 N -0.89 2.14 0.13 2.54 1.43 0.17 -4.95 118.68 119.25 2gcx s LEU 60 Ca 0.12 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.82 2gcx s LEU 60 Cb -0.11 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 2gcx s LEU 60 CO 0.02 0.13 0.05 -0.13 0.23 0.00 0.00 176.35 176.65 2gcx s ARG 61 N -1.00 2.66 0.47 1.70 0.52 -1.26 -1.18 118.95 120.86 2gcx s ARG 61 Ca 0.05 -0.90 0.27 0.00 -0.52 0.00 0.00 55.73 54.64 2gcx s ARG 61 Cb -0.08 -2.55 1.33 0.00 0.52 0.00 0.00 34.95 34.17 2gcx s ARG 61 CO 0.01 0.50 1.80 1.57 0.02 0.00 0.00 175.30 179.20 2gcx h LYS 62 N 2.92 0.18 0.00 3.54 -0.00 -1.93 0.76 116.57 122.05 2gcx h LYS 62 Ca -0.47 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.65 60.10 2gcx h LYS 62 Cb 1.18 -0.04 -0.01 0.00 -0.00 0.00 0.00 32.23 33.36 2gcx h LYS 62 CO 0.61 0.12 -0.47 1.57 -0.00 0.00 0.00 179.45 181.28 2gcx h LYS 63 N 0.19 0.00 0.00 0.07 2.10 -1.94 -3.21 116.57 113.77 2gcx h LYS 63 Ca 0.57 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 59.14 2gcx h LYS 63 Cb 1.84 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.16 2gcx h LYS 63 CO -0.15 0.26 -0.44 0.22 -2.00 0.00 0.00 179.45 177.34 2gcx h ASP 64 N 0.00 0.00 1.08 7.07 3.58 0.10 -3.26 116.42 124.99 2gcx h ASP 64 Ca -0.02 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.25 2gcx h ASP 64 Cb 1.24 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.26 2gcx h ASP 64 CO 0.03 0.36 -0.87 -0.07 -2.88 0.00 0.00 179.24 175.81 2gcx h LEU 65 N 0.00 0.00 -2.33 2.28 4.07 -1.23 -3.19 115.31 114.91 2gcx h LEU 65 Ca -0.01 0.00 0.04 0.00 0.08 0.00 0.00 57.88 57.98 2gcx h LEU 65 Cb 1.28 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.02 2gcx h LEU 65 CO 0.04 0.87 0.17 0.00 -1.08 0.00 0.00 178.44 178.45 2gcx h ALA 66 N 1.13 1.63 0.00 1.53 0.00 -1.59 -3.07 119.26 118.88 2gcx h ALA 66 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2gcx h ALA 66 Cb 1.65 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2gcx h ALA 66 CO 0.11 -0.23 -0.44 1.28 0.00 0.00 0.00 179.25 179.97 2gcx n LEU 67 N -3.62 1.52 -4.75 0.00 4.77 -1.22 -4.95 117.00 108.76 2gcx n LEU 67 Ca 0.00 0.56 -0.35 0.00 -0.03 0.00 0.00 56.01 56.20 2gcx n LEU 67 Cb 0.28 -0.81 0.05 0.00 -2.33 0.00 0.00 43.42 40.61 2gcx n LEU 67 CO 0.25 -0.47 0.81 0.27 -1.33 0.00 0.00 177.39 176.92 2gcx s ILE 68 N -2.06 2.69 -0.05 -0.08 -4.36 -1.16 -3.08 121.20 113.10 2gcx s ILE 68 Ca -0.13 0.39 -0.01 0.00 -0.26 0.00 0.00 60.65 60.64 2gcx s ILE 68 Cb 0.02 -3.05 -0.04 0.00 1.25 0.00 0.00 42.46 40.64 2gcx s ILE 68 CO 0.19 -0.13 0.04 -0.70 0.24 0.00 0.00 174.94 174.58 2gcx s GLU 69 N -3.60 3.03 -0.18 0.37 2.12 -0.62 -4.74 118.70 115.08 2gcx s GLU 69 Ca 0.75 -0.44 -0.04 0.00 0.36 0.00 0.00 54.97 55.60 2gcx s GLU 69 Cb -0.28 -2.84 -0.02 0.00 0.26 0.00 0.00 34.13 31.25 2gcx s GLU 69 CO 0.37 0.68 -0.04 -0.51 -0.54 0.00 0.00 175.26 175.22 2gcx s LEU 70 N -1.29 3.10 -0.25 2.70 2.01 -1.26 0.49 118.68 124.19 2gcx s LEU 70 Ca 0.18 -0.24 -0.10 0.00 0.01 0.00 0.00 54.13 53.97 2gcx s LEU 70 Cb -0.12 -1.77 -0.05 0.00 0.01 0.00 0.00 46.19 44.27 2gcx s LEU 70 CO 0.08 0.09 0.16 -0.70 1.01 0.00 0.00 176.35 176.98 2gcx s GLU 71 N 0.86 4.02 0.69 1.70 2.56 -0.68 -4.96 118.70 122.89 2gcx s GLU 71 Ca -0.01 -0.29 -0.16 0.00 0.00 0.00 0.00 54.97 54.51 2gcx s GLU 71 Cb -0.15 -3.54 -0.01 0.00 2.00 0.00 0.00 34.13 32.43 2gcx s GLU 71 CO 0.02 0.01 0.88 0.00 -0.56 0.00 0.00 175.26 175.61 2gcx n ALA 72 N 4.44 -0.38 -1.97 6.30 0.00 -1.26 -2.07 120.51 125.57 2gcx n ALA 72 Ca -0.15 -0.15 -0.26 0.00 0.00 0.00 0.00 53.44 52.88 2gcx n ALA 72 Cb 0.52 -2.06 0.14 0.00 0.00 0.00 0.00 19.45 18.05 2gcx n ALA 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2gcx s VAL 73 N -1.76 2.08 -0.24 0.00 -7.23 -1.26 -4.77 120.40 107.21 2gcx s VAL 73 Ca 0.73 -0.34 -0.17 0.00 -1.81 0.00 0.00 61.98 60.39 2gcx s VAL 73 Cb -0.36 -2.74 -0.15 0.00 0.56 0.00 0.00 36.38 33.69 2gcx s VAL 73 CO 0.51 0.00 -0.11 0.00 -0.31 0.00 0.00 175.10 175.19 2gcx n ALA 74 N -3.23 0.99 0.99 1.32 0.00 -1.26 -5.14 120.51 114.19 2gcx n ALA 74 Ca 0.15 -0.82 0.12 0.00 0.00 0.00 0.00 53.44 52.89 2gcx n ALA 74 Cb 0.60 -0.17 0.10 0.00 0.00 0.00 0.00 19.45 19.98 2gcx n ALA 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54